2,3-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2,3-dimethyl-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium)

C58H50Ir2N3- — CID 160715954

IUPAC2,3-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2,3-dimethyl-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium)
SMILESCc1cc2[n+](cc1C)Cc1ccc(-c3ccccc3)cc1-2.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1C.Cc1cnc(-c2[c-]ccc(-c3ccccc3)c2)c(C)c1.[Ir].[Ir]
InChIInChI=1S/C20H18N.2C19H16N.2Ir/c1-14-10-20-19-11-17(16-6-4-3-5-7-16)8-9-18(19)13-21(20)12-15(14)2;1-14-11-15(2)19(20-13-14)18-10-6-9-17(12-18)16-7-4-3-5-8-16;1-14-11-12-19(20-15(14)2)18-10-6-9-17(13-18)16-7-4-3-5-8-16;;/h3-12H,13H2,1-2H3;2*3-9,11-13H,1-2H3;;/q+1;2*-1;;
InChIKeyNJHYVUDWMUJMRA-UHFFFAOYSA-N
MW1173.49 g/mol
LogP13.95
Rot. Bonds5

About 2,3-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2,3-dimethyl-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium)

2,3-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2,3-dimethyl-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium) (PubChem CID 160715954) has the molecular formula C58H50Ir2N3- and a molecular weight of 1173.49 g/mol. Its IUPAC name is 2,3-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2,3-dimethyl-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium).

Molecular Properties

Compound Name2,3-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2,3-dimethyl-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium)
PubChem CID160715954
Molecular FormulaC58H50Ir2N3-
Molecular Weight1173.49 g/mol
Exact Mass1174.33
IUPAC Name2,3-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2,3-dimethyl-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium)
SMILESCc1cc2[n+](cc1C)Cc1ccc(-c3ccccc3)cc1-2.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1C.Cc1cnc(-c2[c-]ccc(-c3ccccc3)c2)c(C)c1.[Ir].[Ir]
InChIInChI=1S/C20H18N.2C19H16N.2Ir/c1-14-10-20-19-11-17(16-6-4-3-5-7-16)8-9-18(19)13-21(20)12-15(14)2;1-14-11-15(2)19(20-13-14)18-10-6-9-17(12-18)16-7-4-3-5-8-16;1-14-11-12-19(20-15(14)2)18-10-6-9-17(13-18)16-7-4-3-5-8-16;;/h3-12H,13H2,1-2H3;2*3-9,11-13H,1-2H3;;/q+1;2*-1;;
InChIKeyNJHYVUDWMUJMRA-UHFFFAOYSA-N
XLogP13.95
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001173.49
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3,4-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(2,5-difluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-[3-(2-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(4-fluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);methane
CID 161046385
2,3-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;3,8-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);1-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;5-phenyl-2-phenylpyridine;tris(2-phenylpyridine);6H-pyrido[2,1-a]isoindol-5-ium
CID 160735816
3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyrazine;iridium;pentane-2,4-diol
CID 58894569
iridium;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenyl-4-tetraphenylen-2-ylpyridine
CID 164939579
iridium;5-methyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenyl-5-(2,4,6-trimethylphenyl)pyridine
CID 155602165
iridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine
CID 59294837
2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium
CID 140587226
5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]-5-[2-(3,5-dimethylphenyl)phenyl]pyridine;iridium;iridium(3+)
CID 160652235
tris(iridium);bis(2-(3-methylbenzene-6-id-1-yl)-5-phenylpyridine);bis(5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine
CID 158490047
3,5-dimethyl-2-[4-[2-[3-[2-[3-methyl-4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]phenyl]ethyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);iridium(3+);methane;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide;5-methyl-2-[3-(2-methylphenyl)benzene-6-id-1-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine
CID 158550719
tetrakis(iridium);2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 159132811
4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyrimidine;iridium;2-methyl-6-(4-phenylbenzene-6-id-1-yl)pyridine
CID 140847517

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2,3-dimethyl-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium)?
The IUPAC name of 2,3-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2,3-dimethyl-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium) (CID 160715954) is 2,3-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2,3-dimethyl-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium).
What is the SMILES notation for 2,3-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2,3-dimethyl-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium)?
The canonical SMILES for 2,3-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2,3-dimethyl-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium) is Cc1cc2[n+](cc1C)Cc1ccc(-c3ccccc3)cc1-2.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1C.Cc1cnc(-c2[c-]ccc(-c3ccccc3)c2)c(C)c1.[Ir].[Ir].
What is the InChIKey of 2,3-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2,3-dimethyl-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium)?
The InChIKey is NJHYVUDWMUJMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N.2C19H16N.2Ir/c1-14-10-20-19-11-17(16-6-4-3-5-7-16)8-9-18(19)13-21(20)12-15(14)2;1-14-11-15(2)19(20-13-14)18-10-6-9-17(12-18)16-7-4-3-5-8-16;1-14-11-12-19(20-15(14)2)18-10-6-9-17(13-18)16-7-4-3-5-8-16;;/h3-12H,13H2,1-2H3;2*3-9,11-13H,1-2H3;;/q+1;2*-1;;.
What are the key properties of 2,3-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2,3-dimethyl-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium)?
2,3-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2,3-dimethyl-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium) has a molecular weight of 1173.49 g/mol, XLogP of 13.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;3,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2,3-dimethyl-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium;bis(iridium) is sourced from PubChem (CID 160715954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).